smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1csc(CN2C[C@H]3CC[C@@H](C2)N3c2ccc3ccc4cccnc4c3n2)c1 ZINC001164938584 721912090 /nfs/dbraw/zinc/91/20/90/721912090.db2.gz GENSBLXHEQJTTH-KDURUIRLSA-N 0 3 386.524 4.698 20 5 GJBDHN